General Information of the Compound
Compound ID
CP0423200
Compound Name
4-Hydroxy-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
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Structure
Formula
C10H10N2O4S
Molecular Weight
254.267
Canonical SMILES
Cc1cc(NS(=O)(=O)c2ccc(O)cc2)no1
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InChI
InChI=1S/C10H10N2O4S/c1-7-6-10(11-16-7)12-17(14,15)9-4-2-8(13)3-5-9/h2-6,13H,1H3,(H,11,12)
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InChIKey
RLFQVIBCZPHHSW-UHFFFAOYSA-N
Physicochemical Property
logP
1.48942
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
92.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10106336
SID: 15094628
ChEMBL ID
CHEMBL27248
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01785, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 53000 nM
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